3-bromo-2-chloro-5-(1-chlorobutyl)thiophene

C8H9BrCl2S — CID 102836404

IUPAC3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
SMILESCCCC(Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H9BrCl2S/c1-2-3-6(10)7-4-5(9)8(11)12-7/h4,6H,2-3H2,1H3
InChIKeyNYILARUOHRYALK-UHFFFAOYSA-N
MW288.04 g/mol
LogP5.24
Rot. Bonds3

About 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene

3-bromo-2-chloro-5-(1-chlorobutyl)thiophene (PubChem CID 102836404) has the molecular formula C8H9BrCl2S and a molecular weight of 288.04 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
PubChem CID102836404
Molecular FormulaC8H9BrCl2S
Molecular Weight288.04 g/mol
Exact Mass285.90
IUPAC Name3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
SMILESCCCC(Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H9BrCl2S/c1-2-3-6(10)7-4-5(9)8(11)12-7/h4,6H,2-3H2,1H3
InChIKeyNYILARUOHRYALK-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.04
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-chloro-5-(1-chloro-2-ethylhexyl)thiophene
CID 102836274
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
3-bromo-2-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528
1-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-propylbutan-1-amine
CID 102828697
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 102836654
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
2-bromo-4-(1-chlorobutyl)-1-ethoxybenzene
CID 104661505
3-bromo-2-chloro-5-[chloro-(4-methylcyclohexyl)methyl]thiophene
CID 102836229
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene?
The IUPAC name of 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene (CID 102836404) is 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene is CCCC(Cl)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene?
The InChIKey is NYILARUOHRYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrCl2S/c1-2-3-6(10)7-4-5(9)8(11)12-7/h4,6H,2-3H2,1H3.
What are the key properties of 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene?
3-bromo-2-chloro-5-(1-chlorobutyl)thiophene has a molecular weight of 288.04 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(1-chlorobutyl)thiophene is sourced from PubChem (CID 102836404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).